SCHEMBL21884874

SCHEMBL21884874

COc1cc2ncnc(Oc3cc(F)c4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.55
KDR P35968 5/20 0.55
SRC P12931 2/20 0.55
DRD2 P14416 1/20 0.55
ERBB2 P04626 2/20 0.45
RET P07949 2/20 0.45
PLK4 O00444 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
RIPK2 O43353 1/20 0.45
ERN1 O75460 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21884854 0.88 EGFR (0.52) EGFRKDRSRCDRD2ERBB2
SCHEMBL30365202 0.88 EGFR (0.52) EGFRKDRSRCDRD2ERBB2
SCHEMBL30364938 0.88 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886111 0.88 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL30365096 0.88 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886100 0.88 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21886113 0.88 KDR (0.59) EGFRKDRSRCDRD2ERBB2
SCHEMBL21885569 0.82 EGFR (0.53) EGFRKDRSRCDRD2ERBB2
SCHEMBL30365078 0.82 EGFR (0.53) EGFRKDRSRCDRD2ERBB2
SCHEMBL21884862 0.81 KDR (0.54) EGFRKDRSRCDRD2ERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed